4-methyl-1,3-dipropylpyridine-2-thione

C12H19NS — CID 87663752

IUPAC4-methyl-1,3-dipropylpyridine-2-thione
SMILESCCCc1c(C)ccn(CCC)c1=S
InChIInChI=1S/C12H19NS/c1-4-6-11-10(3)7-9-13(8-5-2)12(11)14/h7,9H,4-6,8H2,1-3H3
InChIKeyAEJHXUWECCCBJR-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.89
Rot. Bonds4

About 4-methyl-1,3-dipropylpyridine-2-thione

4-methyl-1,3-dipropylpyridine-2-thione (PubChem CID 87663752) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-methyl-1,3-dipropylpyridine-2-thione.

Molecular Properties

Compound Name4-methyl-1,3-dipropylpyridine-2-thione
PubChem CID87663752
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-methyl-1,3-dipropylpyridine-2-thione
SMILESCCCc1c(C)ccn(CCC)c1=S
InChIInChI=1S/C12H19NS/c1-4-6-11-10(3)7-9-13(8-5-2)12(11)14/h7,9H,4-6,8H2,1-3H3
InChIKeyAEJHXUWECCCBJR-UHFFFAOYSA-N
XLogP3.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dipropylpyridine-2-thione?
The IUPAC name of 4-methyl-1,3-dipropylpyridine-2-thione (CID 87663752) is 4-methyl-1,3-dipropylpyridine-2-thione.
What is the SMILES notation for 4-methyl-1,3-dipropylpyridine-2-thione?
The canonical SMILES for 4-methyl-1,3-dipropylpyridine-2-thione is CCCc1c(C)ccn(CCC)c1=S.
What is the InChIKey of 4-methyl-1,3-dipropylpyridine-2-thione?
The InChIKey is AEJHXUWECCCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-6-11-10(3)7-9-13(8-5-2)12(11)14/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 4-methyl-1,3-dipropylpyridine-2-thione?
4-methyl-1,3-dipropylpyridine-2-thione has a molecular weight of 209.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dipropylpyridine-2-thione is sourced from PubChem (CID 87663752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).